[2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate CAS Name: 3-phenyl-2,1-benzoxazole-5-carboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate Traditional Name: 3-phenylanthranil-5-carboxylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C26H25NO4 MolecularWeight: 415.481

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC5=C(ON=C5C=C4)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC5=C(ON=C5C=C4)C6=CC=CC=C6

InChI

InChI=1S/C26H25NO4/c28-23(26-12-16-8-17(13-26)10-18(9-16)14-26)15-30-25(29)20-6-7-22-21(11-20)24(31-27-22)19-4-2-1-3-5-19/h1-7,11,16-18H,8-10,12-15H2